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Urea, hydroxy-
CAS: 127-07-1 | CH4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-07-1
Molecular Formula:
CH4N2O2
Molecular Weight:
76.05499999999999 g/mol
Names and Synonyms:
Urea, hydroxy-
Synonym
Hydroxyurea
Synonym
Urea, N-hydroxy-
Synonym
N-Hydroxyurea
Synonym
SQ 1089
Synonym
NSC 32065
Synonym
Carbamohydroxamic acid
Synonym
HU
Synonym
Hydrea
Synonym
Hydroxycarbamide
Synonym
Hydroxylurea
Synonym
Hydroxyurea
Synonym
Hydroxylamine, N-(aminocarbonyl)-
Synonym
Carbamoyl oxime
Synonym
Carbamohydroximic acid
Synonym
Hydroxycarbamine
Synonym
Litaler
Synonym
Oxyurea
Synonym
Hidrix
Synonym
Hydreia
Synonym
Hydura
Synonym
Litalir
Synonym
Onco-Carbide
Synonym
Biosupressin
Synonym
NCI C04831
Synonym
N-Carbamoylhydroxylamine
Synonym
Hydurea
Synonym
SK 22591
Synonym
Oxyrea
Synonym
Droxia
Synonym
Cytodrox
Synonym
Siklos
Synonym
Mylocel
Synonym
1-Hydroxyurea
Synonym
Xromi
Synonym
Identifiers:
SMILES:
N=C(O)NO
InChI:
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 76.06 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)NO None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=VSNHCAURESNICA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 141 °C None | Legacy Database |
| cas-name | Hydroxyurea None | Legacy Database |
| LogP | -0.54203 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 76.05499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.027277368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 76.34 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.2777 | RDKit |